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3-Methoxy-16,17-diacetoxy-estra-1,3,5(10)-triene
SpectraBase Compound ID Fl0q7fJuWb1
InChI InChI=1S/C23H30O5/c1-13(24)27-21-12-20-19-7-5-15-11-16(26-4)6-8-17(15)18(19)9-10-23(20,3)22(21)28-14(2)25/h6,8,11,18-22H,5,7,9-10,12H2,1-4H3/t18-,19-,20+,21?,22?,23+/m1/s1
InChIKey WWLYLQKLALYXPH-XMAZQCLNSA-N
Mol Weight 386.49 g/mol
Molecular Formula C23H30O5
Exact Mass 386.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXP9xDA4yVr
Name 3-Methoxy-16,17-diacetoxy-estra-1,3,5(10)-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O5
InChI InChI=1S/C23H30O5/c1-13(24)27-21-12-20-19-7-5-15-11-16(26-4)6-8-17(15)18(19)9-10-23(20,3)22(21)28-14(2)25/h6,8,11,18-22H,5,7,9-10,12H2,1-4H3/t18-,19-,20+,21?,22?,23+/m1/s1
InChIKey WWLYLQKLALYXPH-XMAZQCLNSA-N
Molecular Weight 386.488 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC(C1OC(=O)C)OC(=O)C)[H])C
SPLASH splash10-0079-1933000000-6988a1127118b4c5ea3a
Source of Spectrum CJ-1992-0-0
Synonyms 16-(acetyloxy)-3-methoxyestra-1,3,5(10)-trien-17-yl acetate
Wiley ID 1362792